2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde

C11H18O3 — CID 163775828

IUPAC2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde
SMILESCOC(C=O)(OC)C1C=CCCC1C
InChIInChI=1S/C11H18O3/c1-9-6-4-5-7-10(9)11(8-12,13-2)14-3/h5,7-10H,4,6H2,1-3H3
InChIKeyMKJGZUYVONNYMM-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.78
Rot. Bonds4

About 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde

2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde (PubChem CID 163775828) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde.

Molecular Properties

Compound Name2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde
PubChem CID163775828
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde
SMILESCOC(C=O)(OC)C1C=CCCC1C
InChIInChI=1S/C11H18O3/c1-9-6-4-5-7-10(9)11(8-12,13-2)14-3/h5,7-10H,4,6H2,1-3H3
InChIKeyMKJGZUYVONNYMM-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde?
The IUPAC name of 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde (CID 163775828) is 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde.
What is the SMILES notation for 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde?
The canonical SMILES for 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde is COC(C=O)(OC)C1C=CCCC1C.
What is the InChIKey of 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde?
The InChIKey is MKJGZUYVONNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9-6-4-5-7-10(9)11(8-12,13-2)14-3/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde?
2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde has a molecular weight of 198.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-2-(6-methylcyclohex-2-en-1-yl)acetaldehyde is sourced from PubChem (CID 163775828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).